2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline

C11H8F2N2O3 — CID 43763852

IUPAC2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline
SMILESO=[N+]([O-])c1ccc(CNc2ccc(F)cc2F)o1
InChIInChI=1S/C11H8F2N2O3/c12-7-1-3-10(9(13)5-7)14-6-8-2-4-11(18-8)15(16)17/h1-5,14H,6H2
InChIKeyMKWMHMOJOGPVPS-UHFFFAOYSA-N
MW254.19 g/mol
LogP3.08
Rot. Bonds4

About 2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline

2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline (PubChem CID 43763852) has the molecular formula C11H8F2N2O3 and a molecular weight of 254.19 g/mol. Its IUPAC name is 2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline
PubChem CID43763852
Molecular FormulaC11H8F2N2O3
Molecular Weight254.19 g/mol
Exact Mass254.05
IUPAC Name2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline
SMILESO=[N+]([O-])c1ccc(CNc2ccc(F)cc2F)o1
InChIInChI=1S/C11H8F2N2O3/c12-7-1-3-10(9(13)5-7)14-6-8-2-4-11(18-8)15(16)17/h1-5,14H,6H2
InChIKeyMKWMHMOJOGPVPS-UHFFFAOYSA-N
XLogP3.08
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trifluoro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 62811041
5-nitro-2-[(5-nitrofuran-2-yl)methylamino]benzonitrile
CID 43790290
N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide
CID 43778935
2-bromo-5-chloro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 81271060
2-fluoro-6-[(5-nitrofuran-2-yl)methylamino]benzonitrile
CID 43778289
methyl 4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]benzoate
CID 43781200
4-fluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-nitroaniline
CID 43781463
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 12957246
(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
CID 132585338
methyl 5-chloro-2-[(5-nitrofuran-2-yl)methylamino]benzoate
CID 43779971
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
(E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 7039893

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline?
The IUPAC name of 2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline (CID 43763852) is 2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline is O=[N+]([O-])c1ccc(CNc2ccc(F)cc2F)o1.
What is the InChIKey of 2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline?
The InChIKey is MKWMHMOJOGPVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3/c12-7-1-3-10(9(13)5-7)14-6-8-2-4-11(18-8)15(16)17/h1-5,14H,6H2.
What are the key properties of 2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline?
2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline has a molecular weight of 254.19 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline is sourced from PubChem (CID 43763852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).